62B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.51Å | 1.60Å | |
| C10 | C17 | sing | 1.54Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.56Å | |
| C11 | C12 | sing | 1.47Å | 1.56Å | |
| C11 | O2 | sing | 1.44Å | 1.43Å | |
| C12 | C13 | sing | 1.55Å | 1.49Å | |
| C12 | C18 | sing | 1.54Å | 1.53Å | |
| C12 | C19 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C14 | C5 | sing | 1.53Å | 1.56Å | |
| C14 | O3 | sing | 1.46Å | 1.45Å | |
| C15 | C5 | sing | 1.54Å | 1.54Å | |
| C16 | C6 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | doub | 1.31Å | 1.31Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | O3 | sing | 1.34Å | 1.34Å | |
| C21 | O4 | doub | 1.21Å | 1.20Å | |
| C22 | S1 | sing | 1.81Å | 1.81Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C28 | sing | 1.53Å | 1.53Å | |
| C23 | S1 | sing | 1.81Å | 1.83Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | N1 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.55Å | 1.50Å | |
| C1 | C9 | sing | 1.51Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C3 | C4 | sing | 1.49Å | 1.51Å | |
| C3 | O1 | doub | 1.21Å | 1.20Å | |
| C4 | C5 | sing | 1.47Å | 1.56Å | |
| C4 | C9 | sing | 1.59Å | 1.51Å | |
| C5 | C6 | sing | 1.52Å | 1.56Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.52Å | 1.53Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H20A | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C17 | 109.9° | 108.3° |
| C11 | C10 | C9 | 116.7° | 109.1° |
| C10 | C11 | C12 | 118.7° | 116.4° |
| C10 | C11 | O2 | 109.3° | 107.9° |
| C11 | C10 | H10 | 106.4° | 111.7° |
| C10 | C11 | H11 | 105.3° | 109.6° |
| C17 | C10 | C9 | 109.3° | 108.7° |
| C17 | C10 | H10 | 107.2° | 108.2° |
| C10 | C17 | H17 | 109.5° | 109.5° |
| C10 | C17 | H17A | 109.5° | 109.4° |
| C10 | C17 | H17B | 109.5° | 109.5° |
| C10 | C9 | C1 | 109.5° | 120.2° |
| C10 | C9 | C4 | 114.6° | 101.9° |
| C10 | C9 | C8 | 116.4° | 111.7° |
| C9 | C10 | H10 | 106.9° | 110.7° |
| C12 | C11 | O2 | 110.0° | 107.6° |
| C11 | C12 | C13 | 117.2° | 110.4° |
| C11 | C12 | C18 | 115.6° | 108.0° |
| C11 | C12 | C19 | 108.6° | 110.9° |
| C12 | C11 | H11 | 105.7° | 108.3° |
| O2 | C11 | H11 | 107.1° | 106.6° |
| C11 | O2 | HO2 | 109.5° | 114.0° |
| C13 | C12 | C18 | 106.5° | 108.3° |
| C13 | C12 | C19 | 98.3° | 111.1° |
| C12 | C13 | C14 | 112.7° | 114.0° |
| C12 | C13 | H13 | 108.7° | 108.4° |
| C12 | C13 | H13A | 108.7° | 109.6° |
| C18 | C12 | C19 | 109.0° | 108.0° |
| C12 | C18 | H18 | 109.5° | 109.5° |
| C12 | C18 | H18A | 109.4° | 109.5° |
| C12 | C18 | H18B | 109.5° | 109.5° |
| C12 | C19 | C20 | 128.8° | 119.9° |
| C12 | C19 | H19 | 115.6° | 120.0° |
| C13 | C14 | C5 | 110.6° | 113.3° |
| C13 | C14 | O3 | 105.4° | 105.7° |
| C14 | C13 | H13 | 108.7° | 107.8° |
| C14 | C13 | H13A | 108.7° | 109.6° |
| C13 | C14 | H14 | 110.9° | 111.2° |
| C5 | C14 | O3 | 107.6° | 108.0° |
| C14 | C5 | C15 | 100.5° | 100.9° |
| C14 | C5 | C4 | 107.1° | 119.3° |
| C14 | C5 | C6 | 117.2° | 114.7° |
| C5 | C14 | H14 | 110.3° | 110.7° |
| C14 | O3 | C21 | 116.9° | 117.0° |
| O3 | C14 | H14 | 111.9° | 107.7° |
| C15 | C5 | C4 | 114.4° | 103.5° |
| C15 | C5 | C6 | 111.7° | 101.7° |
| C5 | C15 | H15 | 109.5° | 109.5° |
| C5 | C15 | H15A | 109.5° | 109.5° |
| C5 | C15 | H15B | 109.5° | 109.5° |
| C16 | C6 | C5 | 115.5° | 112.2° |
| C16 | C6 | C7 | 109.3° | 109.4° |
| C6 | C16 | H16 | 109.5° | 109.5° |
| C6 | C16 | H16A | 109.5° | 109.5° |
| C6 | C16 | H16B | 109.5° | 109.5° |
| C16 | C6 | H6 | 107.8° | 107.8° |
| C20 | C19 | H19 | 115.6° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C19 | C20 | H20A | 120.0° | 120.0° |
| C22 | C21 | O3 | 110.3° | 120.0° |
| C22 | C21 | O4 | 125.7° | 120.0° |
| C21 | C22 | S1 | 114.4° | 109.4° |
| C21 | C22 | H22 | 108.2° | 109.5° |
| C21 | C22 | H22A | 108.2° | 109.4° |
| O3 | C21 | O4 | 124.0° | 120.0° |
| C22 | S1 | C23 | 102.3° | 103.0° |
| S1 | C22 | H22 | 108.2° | 109.5° |
| S1 | C22 | H22A | 108.2° | 109.4° |
| C24 | C23 | C28 | 112.0° | 109.5° |
| C24 | C23 | S1 | 107.3° | 109.5° |
| C23 | C24 | C25 | 116.1° | 109.5° |
| C24 | C23 | H23 | 112.4° | 109.4° |
| C23 | C24 | H24 | 107.8° | 109.5° |
| C23 | C24 | H24A | 107.8° | 109.5° |
| C28 | C23 | S1 | 103.2° | 109.5° |
| C23 | C28 | C27 | 110.9° | 109.5° |
| C23 | C28 | O5 | 108.5° | 109.5° |
| C28 | C23 | H23 | 112.6° | 109.5° |
| C23 | C28 | H28 | 108.6° | 109.4° |
| S1 | C23 | H23 | 108.7° | 109.4° |
| C24 | C25 | C26 | 103.2° | 109.5° |
| C25 | C24 | H24 | 107.8° | 109.4° |
| C25 | C24 | H24A | 107.8° | 109.5° |
| C24 | C25 | H25 | 111.0° | 109.5° |
| C24 | C25 | H25A | 111.0° | 109.4° |
| C25 | C26 | C27 | 107.9° | 109.5° |
| C25 | C26 | N1 | 112.3° | 109.5° |
| C26 | C25 | H25 | 111.0° | 109.5° |
| C26 | C25 | H25A | 111.0° | 109.5° |
| C25 | C26 | H26 | 107.6° | 109.4° |
| C27 | C26 | N1 | 112.7° | 109.5° |
| C26 | C27 | C28 | 111.9° | 109.5° |
| C27 | C26 | H26 | 107.7° | 109.5° |
| C26 | C27 | H27 | 108.9° | 109.5° |
| C26 | C27 | H27A | 108.9° | 109.5° |
| N1 | C26 | H26 | 108.5° | 109.4° |
| C26 | N1 | HN1 | 109.5° | 111.0° |
| C26 | N1 | HN1A | 109.4° | 111.0° |
| C27 | C28 | O5 | 110.2° | 109.5° |
| C28 | C27 | H27 | 108.9° | 109.5° |
| C28 | C27 | H27A | 108.9° | 109.4° |
| C27 | C28 | H28 | 108.7° | 109.4° |
| O5 | C28 | H28 | 109.9° | 109.5° |
| C28 | O5 | HO5 | 109.5° | 114.0° |
| C2 | C1 | C9 | 105.9° | 102.6° |
| C1 | C2 | C3 | 104.8° | 106.4° |
| C2 | C1 | H1 | 110.4° | 110.7° |
| C2 | C1 | H1A | 110.3° | 111.1° |
| C1 | C2 | H2 | 110.6° | 110.2° |
| C1 | C2 | H2A | 110.6° | 110.4° |
| C1 | C9 | C4 | 106.9° | 101.1° |
| C1 | C9 | C8 | 98.4° | 112.9° |
| C9 | C1 | H1 | 110.3° | 110.3° |
| C9 | C1 | H1A | 110.4° | 111.2° |
| C2 | C3 | C4 | 105.2° | 106.5° |
| C2 | C3 | O1 | 125.8° | 124.5° |
| C3 | C2 | H2 | 110.6° | 109.8° |
| C3 | C2 | H2A | 110.6° | 110.0° |
| C4 | C3 | O1 | 128.8° | 129.0° |
| C3 | C4 | C5 | 120.5° | 123.9° |
| C3 | C4 | C9 | 103.2° | 102.5° |
| C3 | C4 | H4 | 104.7° | 105.3° |
| C5 | C4 | C9 | 117.7° | 110.4° |
| C4 | C5 | C6 | 106.1° | 113.3° |
| C5 | C4 | H4 | 104.3° | 106.7° |
| C4 | C9 | C8 | 109.4° | 106.9° |
| C9 | C4 | H4 | 104.7° | 107.0° |
| C5 | C6 | C7 | 108.6° | 111.8° |
| C5 | C6 | H6 | 107.4° | 107.8° |
| C6 | C7 | C8 | 112.0° | 109.8° |
| C7 | C6 | H6 | 107.8° | 107.6° |
| C6 | C7 | H7 | 108.8° | 110.0° |
| C6 | C7 | H7A | 108.8° | 108.8° |
| C7 | C8 | C9 | 111.4° | 109.4° |
| C8 | C7 | H7 | 108.8° | 110.7° |
| C8 | C7 | H7A | 108.9° | 109.0° |
| C7 | C8 | H8 | 109.0° | 110.0° |
| C7 | C8 | H8A | 109.0° | 109.3° |
| C9 | C8 | H8 | 109.0° | 110.0° |
| C9 | C8 | H8A | 109.0° | 109.1° |
| H13 | C13 | H13A | 109.5° | 107.0° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.4° | 109.5° |
| H20 | C20 | H20A | 120.0° | 120.0° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.4° | 109.5° |
| H1 | C1 | H1A | 109.5° | 110.6° |
| H2 | C2 | H2A | 109.5° | 110.1° |
| H7 | C7 | H7A | 109.5° | 108.5° |
| H8 | C8 | H8A | 109.5° | 109.0° |
| HN1 | N1 | HN1A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C17 | C9 | 129.2° | 118.4° |
| C11 | C10 | C17 | H10 | 115.3° | 121.3° |
| C11 | C10 | C9 | H10 | 118.9° | 123.4° |
| C10 | C11 | C12 | O2 | 126.9° | 121.1° |
| C10 | C11 | C12 | H11 | 117.7° | 124.0° |
| C10 | C11 | O2 | H11 | 113.6° | 117.6° |
| C10 | C11 | C12 | C13 | 64.2° | 65.2° |
| C10 | C11 | C12 | C18 | 168.9° | 176.5° |
| C10 | C11 | C12 | C19 | 46.0° | 58.4° |
| C11 | C10 | C9 | C1 | 90.5° | 48.4° |
| C11 | C10 | C9 | C4 | 29.6° | 62.1° |
| C11 | C10 | C9 | C8 | 159.1° | 176.0° |
| C11 | C10 | C17 | H17 | 180.0° | 60.0° |
| C11 | C10 | C17 | H17A | 60.0° | 180.0° |
| C11 | C10 | C17 | H17B | 60.0° | 60.0° |
| C10 | C11 | O2 | HO2 | 180.0° | 173.3° |
| C17 | C10 | C9 | H10 | 115.7° | 118.7° |
| C17 | C10 | C11 | C12 | 147.4° | 117.3° |
| C17 | C10 | C11 | O2 | 20.1° | 3.7° |
| C17 | C10 | C9 | C1 | 34.9° | 69.5° |
| C17 | C10 | C9 | C4 | 155.0° | 180.0° |
| C17 | C10 | C9 | C8 | 75.5° | 66.1° |
| C17 | C10 | C11 | H11 | 94.7° | 119.4° |
| C10 | C17 | H17 | H17A | 120.0° | 120.0° |
| C10 | C17 | H17 | H17B | 120.0° | 120.1° |
| C10 | C17 | H17A | H17B | 120.0° | 120.0° |
| C9 | C10 | C11 | C12 | 87.5° | 124.6° |
| C9 | C10 | C11 | O2 | 145.2° | 114.5° |
| C10 | C9 | C1 | C2 | 123.7° | 152.6° |
| C10 | C9 | C1 | C4 | 124.7° | 110.9° |
| C10 | C9 | C1 | C8 | 121.9° | 135.2° |
| C10 | C9 | C4 | C3 | 142.5° | 169.1° |
| C10 | C9 | C4 | C5 | 82.1° | 57.1° |
| C10 | C9 | C4 | C8 | 132.8° | 117.3° |
| C10 | C9 | C8 | C7 | 82.0° | 47.7° |
| C9 | C10 | C11 | H11 | 30.4° | 1.2° |
| C9 | C10 | C17 | H17 | 50.8° | 178.4° |
| C9 | C10 | C17 | H17A | 69.2° | 61.6° |
| C9 | C10 | C17 | H17B | 170.8° | 58.4° |
| C10 | C9 | C1 | H1 | 116.8° | 89.4° |
| C10 | C9 | C1 | H1A | 4.3° | 33.8° |
| C10 | C9 | C4 | H4 | 33.2° | 58.6° |
| C10 | C9 | C8 | H8 | 38.3° | 73.2° |
| C10 | C9 | C8 | H8A | 157.7° | 167.2° |
| C12 | C11 | O2 | H11 | 114.4° | 116.0° |
| C11 | C12 | C13 | C18 | 131.3° | 118.1° |
| C11 | C12 | C13 | C19 | 115.9° | 123.5° |
| C11 | C12 | C18 | C19 | 122.7° | 120.0° |
| C11 | C12 | C13 | C14 | 72.2° | 64.5° |
| C11 | C12 | C19 | C20 | 32.0° | 120.0° |
| C12 | C11 | C10 | H10 | 31.6° | 1.8° |
| C11 | C12 | C13 | H13 | 167.3° | 175.3° |
| C11 | C12 | C13 | H13A | 48.3° | 58.8° |
| C11 | C12 | C18 | H18 | 180.0° | 54.2° |
| C11 | C12 | C18 | H18A | 60.0° | 174.1° |
| C11 | C12 | C18 | H18B | 60.0° | 65.9° |
| C11 | C12 | C19 | H19 | 148.0° | 59.9° |
| C12 | C11 | O2 | HO2 | 48.0° | 60.4° |
| O2 | C11 | C12 | C13 | 168.9° | 173.7° |
| O2 | C11 | C12 | C18 | 41.9° | 55.4° |
| O2 | C11 | C12 | C19 | 81.0° | 62.7° |
| O2 | C11 | C10 | H10 | 95.7° | 122.7° |
| C13 | C12 | C18 | C19 | 105.2° | 120.4° |
| C12 | C13 | C14 | H13 | 120.5° | 120.5° |
| C12 | C13 | C14 | H13A | 120.5° | 123.4° |
| C12 | C13 | C14 | C5 | 114.6° | 96.0° |
| C12 | C13 | C14 | O3 | 129.4° | 146.0° |
| C13 | C12 | C19 | C20 | 154.5° | 116.8° |
| C13 | C12 | C11 | H11 | 53.5° | 58.8° |
| C12 | C13 | H13 | H13A | 118.6° | 118.2° |
| C12 | C13 | C14 | H14 | 8.1° | 29.4° |
| C13 | C12 | C18 | H18 | 47.8° | 65.4° |
| C13 | C12 | C18 | H18A | 167.8° | 54.6° |
| C13 | C12 | C18 | H18B | 72.2° | 174.5° |
| C13 | C12 | C19 | H19 | 25.5° | 63.2° |
| C18 | C12 | C13 | C14 | 156.5° | 177.3° |
| C18 | C12 | C19 | C20 | 94.8° | 1.8° |
| C18 | C12 | C11 | H11 | 73.4° | 59.5° |
| C18 | C12 | C13 | H13 | 36.0° | 57.2° |
| C18 | C12 | C13 | H13A | 83.0° | 59.3° |
| C12 | C18 | H18 | H18A | 120.0° | 120.0° |
| C12 | C18 | H18 | H18B | 120.0° | 120.0° |
| C12 | C18 | H18A | H18B | 119.9° | 120.0° |
| C18 | C12 | C19 | H19 | 85.2° | 178.2° |
| C19 | C12 | C13 | C14 | 43.7° | 58.9° |
| C12 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C12 | C11 | H11 | 163.7° | 177.6° |
| C19 | C12 | C13 | H13 | 76.8° | 61.2° |
| C19 | C12 | C13 | H13A | 164.2° | 177.7° |
| C19 | C12 | C18 | H18 | 57.3° | 174.2° |
| C19 | C12 | C18 | H18A | 62.7° | 65.8° |
| C19 | C12 | C18 | H18B | 177.4° | 54.2° |
| C12 | C19 | C20 | H20 | 180.0° | 180.0° |
| C12 | C19 | C20 | H20A | 0.0° | 0.0° |
| C13 | C14 | C5 | O3 | 114.6° | 116.7° |
| C13 | C14 | C5 | H14 | 123.0° | 125.7° |
| C13 | C14 | O3 | H14 | 120.6° | 118.9° |
| C13 | C14 | C5 | C15 | 69.2° | 85.5° |
| C13 | C14 | O3 | C21 | 117.7° | 90.0° |
| C13 | C14 | C5 | C4 | 50.5° | 26.9° |
| C13 | C14 | C5 | C6 | 169.6° | 166.0° |
| C14 | C13 | H13 | H13A | 118.5° | 117.9° |
| C5 | C14 | O3 | H14 | 121.4° | 119.6° |
| C14 | C5 | C15 | C4 | 114.4° | 123.9° |
| C14 | C5 | C15 | C6 | 125.0° | 118.4° |
| C14 | C5 | C6 | C16 | 61.3° | 34.3° |
| C5 | C14 | O3 | C21 | 124.3° | 148.5° |
| C14 | C5 | C4 | C3 | 161.3° | 153.6° |
| C14 | C5 | C4 | C6 | 125.9° | 139.7° |
| C14 | C5 | C4 | C9 | 71.2° | 84.6° |
| C14 | C5 | C6 | C7 | 61.9° | 89.1° |
| C5 | C14 | C13 | H13 | 124.9° | 143.6° |
| C5 | C14 | C13 | H13A | 5.9° | 27.4° |
| C14 | C5 | C15 | H15 | 180.0° | 60.0° |
| C14 | C5 | C15 | H15A | 60.0° | 180.0° |
| C14 | C5 | C15 | H15B | 60.0° | 60.0° |
| C14 | C5 | C4 | H4 | 44.3° | 31.4° |
| C14 | C5 | C6 | H6 | 178.3° | 152.8° |
| O3 | C14 | C5 | C15 | 45.3° | 31.2° |
| C14 | O3 | C21 | C22 | 171.2° | 180.0° |
| C14 | O3 | C21 | O4 | 9.4° | 0.0° |
| O3 | C14 | C5 | C4 | 165.1° | 143.6° |
| O3 | C14 | C5 | C6 | 75.9° | 77.3° |
| O3 | C14 | C13 | H13 | 8.9° | 25.5° |
| O3 | C14 | C13 | H13A | 110.1° | 90.7° |
| C15 | C5 | C6 | C16 | 53.8° | 73.7° |
| C15 | C5 | C4 | C3 | 50.9° | 42.7° |
| C15 | C5 | C4 | C6 | 123.7° | 109.3° |
| C15 | C5 | C4 | C9 | 178.3° | 164.5° |
| C15 | C5 | C6 | C7 | 177.1° | 162.9° |
| C15 | C5 | C14 | H14 | 167.7° | 148.8° |
| C5 | C15 | H15 | H15A | 120.0° | 120.0° |
| C5 | C15 | H15 | H15B | 120.0° | 120.0° |
| C5 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C5 | C4 | H4 | 66.2° | 79.6° |
| C15 | C5 | C6 | H6 | 66.5° | 44.9° |
| C16 | C6 | C5 | C4 | 179.1° | 175.9° |
| C16 | C6 | C5 | C7 | 123.2° | 123.4° |
| C16 | C6 | C5 | H6 | 120.4° | 118.5° |
| C16 | C6 | C7 | H6 | 117.0° | 116.9° |
| C16 | C6 | C7 | C8 | 169.2° | 178.9° |
| C6 | C16 | H16 | H16A | 120.0° | 120.0° |
| C6 | C16 | H16 | H16B | 120.0° | 120.1° |
| C6 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C6 | C7 | H7 | 70.5° | 56.8° |
| C16 | C6 | C7 | H7A | 48.8° | 62.0° |
| C19 | C20 | H20 | H20A | 180.0° | 180.0° |
| C22 | C21 | O3 | O4 | 179.4° | 180.0° |
| C21 | C22 | S1 | H22 | 120.7° | 120.0° |
| C21 | C22 | S1 | H22A | 120.7° | 119.9° |
| C21 | C22 | S1 | C23 | 110.6° | 180.0° |
| C21 | C22 | H22 | H22A | 117.8° | 120.0° |
| O3 | C21 | C22 | S1 | 165.1° | 180.0° |
| C21 | O3 | C14 | H14 | 2.9° | 28.9° |
| O3 | C21 | C22 | H22 | 44.4° | 60.0° |
| O3 | C21 | C22 | H22A | 74.1° | 60.0° |
| O4 | C21 | C22 | S1 | 15.5° | 0.0° |
| O4 | C21 | C22 | H22 | 136.2° | 120.0° |
| O4 | C21 | C22 | H22A | 105.2° | 119.9° |
| C22 | S1 | C23 | C24 | 80.7° | 65.0° |
| C22 | S1 | C23 | C28 | 160.8° | 175.0° |
| S1 | C22 | H22 | H22A | 117.8° | 120.0° |
| C22 | S1 | C23 | H23 | 41.1° | 55.0° |
| C24 | C23 | C28 | S1 | 115.1° | 120.0° |
| C24 | C23 | C28 | H23 | 127.9° | 120.0° |
| C24 | C23 | S1 | H23 | 121.8° | 120.0° |
| C23 | C24 | C25 | H24 | 121.0° | 120.0° |
| C23 | C24 | C25 | H24A | 121.0° | 120.0° |
| C23 | C24 | C25 | C26 | 59.9° | 60.0° |
| C24 | C23 | C28 | C27 | 43.7° | 60.0° |
| C24 | C23 | C28 | O5 | 165.0° | 180.0° |
| C23 | C24 | H24 | H24A | 117.0° | 120.0° |
| C23 | C24 | C25 | H25 | 178.9° | 180.0° |
| C23 | C24 | C25 | H25A | 59.1° | 60.0° |
| C24 | C23 | C28 | H28 | 75.6° | 60.0° |
| C28 | C23 | S1 | H23 | 119.7° | 120.0° |
| C28 | C23 | C24 | C25 | 50.4° | 60.0° |
| C23 | C28 | C27 | C26 | 53.7° | 60.0° |
| C23 | C28 | C27 | O5 | 120.2° | 120.0° |
| C23 | C28 | C27 | H28 | 119.3° | 119.9° |
| C23 | C28 | O5 | H28 | 118.6° | 120.0° |
| C28 | C23 | C24 | H24 | 70.5° | 60.0° |
| C28 | C23 | C24 | H24A | 171.4° | 180.0° |
| C23 | C28 | C27 | H27 | 174.1° | 180.0° |
| C23 | C28 | C27 | H27A | 66.6° | 60.0° |
| C23 | C28 | O5 | HO5 | 180.0° | 180.0° |
| S1 | C23 | C24 | C25 | 163.0° | 180.0° |
| S1 | C23 | C28 | C27 | 158.8° | 180.0° |
| S1 | C23 | C28 | O5 | 79.9° | 60.0° |
| C23 | S1 | C22 | H22 | 10.1° | 60.0° |
| C23 | S1 | C22 | H22A | 128.7° | 60.1° |
| S1 | C23 | C24 | H24 | 42.1° | 60.0° |
| S1 | C23 | C24 | H24A | 76.0° | 60.0° |
| S1 | C23 | C28 | H28 | 39.5° | 60.1° |
| C24 | C25 | C26 | H25 | 119.0° | 120.0° |
| C24 | C25 | C26 | H25A | 119.0° | 120.0° |
| C24 | C25 | C26 | C27 | 65.5° | 60.0° |
| C24 | C25 | C26 | N1 | 169.8° | 180.0° |
| C25 | C24 | C23 | H23 | 77.5° | 60.0° |
| C25 | C24 | H24 | H24A | 117.0° | 120.0° |
| C24 | C25 | H25 | H25A | 122.9° | 120.0° |
| C24 | C25 | C26 | H26 | 50.5° | 60.1° |
| C25 | C26 | C27 | N1 | 124.5° | 120.0° |
| C25 | C26 | C27 | H26 | 115.9° | 120.0° |
| C25 | C26 | N1 | H26 | 118.8° | 120.0° |
| C25 | C26 | C27 | C28 | 66.8° | 60.0° |
| C26 | C25 | C24 | H24 | 61.0° | 60.0° |
| C26 | C25 | C24 | H24A | 179.1° | 180.0° |
| C26 | C25 | H25 | H25A | 122.9° | 120.0° |
| C25 | C26 | C27 | H27 | 172.8° | 180.0° |
| C25 | C26 | C27 | H27A | 53.5° | 60.0° |
| C25 | C26 | N1 | HN1 | 180.0° | 60.0° |
| C25 | C26 | N1 | HN1A | 60.0° | 63.9° |
| C27 | C26 | N1 | H26 | 119.2° | 120.0° |
| C26 | C27 | C28 | H27 | 120.4° | 120.0° |
| C26 | C27 | C28 | H27A | 120.4° | 120.0° |
| C26 | C27 | C28 | O5 | 174.0° | 180.0° |
| C27 | C26 | C25 | H25 | 175.5° | 180.0° |
| C27 | C26 | C25 | H25A | 53.5° | 60.0° |
| C26 | C27 | H27 | H27A | 118.9° | 120.0° |
| C26 | C27 | C28 | H28 | 65.6° | 60.0° |
| C27 | C26 | N1 | HN1 | 57.9° | 180.0° |
| C27 | C26 | N1 | HN1A | 177.9° | 56.1° |
| N1 | C26 | C27 | C28 | 168.7° | 180.0° |
| N1 | C26 | C25 | H25 | 50.8° | 60.0° |
| N1 | C26 | C25 | H25A | 71.2° | 60.0° |
| N1 | C26 | C27 | H27 | 48.3° | 60.0° |
| N1 | C26 | C27 | H27A | 71.0° | 60.0° |
| C26 | N1 | HN1 | HN1A | 120.0° | 123.9° |
| C27 | C28 | O5 | H28 | 119.7° | 120.0° |
| C27 | C28 | C23 | H23 | 84.1° | 60.0° |
| C28 | C27 | C26 | H26 | 49.0° | 60.0° |
| C28 | C27 | H27 | H27A | 118.9° | 120.0° |
| C27 | C28 | O5 | HO5 | 58.3° | 60.0° |
| O5 | C28 | C23 | H23 | 37.1° | 60.0° |
| O5 | C28 | C27 | H27 | 65.6° | 60.0° |
| O5 | C28 | C27 | H27A | 53.6° | 60.0° |
| C2 | C1 | C9 | H1 | 119.5° | 118.0° |
| C2 | C1 | C9 | H1A | 119.4° | 118.9° |
| C1 | C2 | C3 | H2 | 119.2° | 119.2° |
| C1 | C2 | C3 | H2A | 119.3° | 119.5° |
| C1 | C2 | C3 | C4 | 37.0° | 3.6° |
| C1 | C2 | C3 | O1 | 140.1° | 176.3° |
| C2 | C1 | C9 | C4 | 1.0° | 41.7° |
| C2 | C1 | C9 | C8 | 114.4° | 72.2° |
| C2 | C1 | H1 | H1A | 121.7° | 123.6° |
| C1 | C2 | H2 | H2A | 122.2° | 121.9° |
| C9 | C1 | C2 | C3 | 23.1° | 24.8° |
| C1 | C9 | C4 | C3 | 21.0° | 44.7° |
| C1 | C9 | C4 | C5 | 156.4° | 178.5° |
| C1 | C9 | C4 | C8 | 105.7° | 118.3° |
| C1 | C9 | C8 | C7 | 161.3° | 173.3° |
| C1 | C9 | C10 | H10 | 150.6° | 171.7° |
| C9 | C1 | H1 | H1A | 121.7° | 123.5° |
| C9 | C1 | C2 | H2 | 96.1° | 143.8° |
| C9 | C1 | C2 | H2A | 142.3° | 94.5° |
| C1 | C9 | C4 | H4 | 88.3° | 65.8° |
| C1 | C9 | C8 | H8 | 78.4° | 65.8° |
| C1 | C9 | C8 | H8A | 41.0° | 53.7° |
| C2 | C3 | C4 | O1 | 177.0° | 179.9° |
| C2 | C3 | C4 | C5 | 169.6° | 154.5° |
| C2 | C3 | C4 | C9 | 35.8° | 29.2° |
| C3 | C2 | C1 | H1 | 96.3° | 142.5° |
| C3 | C2 | C1 | H1A | 142.5° | 94.2° |
| C3 | C2 | H2 | H2A | 122.2° | 121.2° |
| C2 | C3 | C4 | H4 | 73.6° | 82.6° |
| C3 | C4 | C5 | C9 | 127.5° | 121.8° |
| C3 | C4 | C5 | H4 | 117.1° | 122.2° |
| C3 | C4 | C9 | H4 | 109.4° | 110.6° |
| C3 | C4 | C5 | C6 | 72.8° | 66.7° |
| C3 | C4 | C9 | C8 | 84.6° | 73.6° |
| C4 | C3 | C2 | H2 | 82.2° | 115.6° |
| C4 | C3 | C2 | H2A | 156.3° | 123.2° |
| O1 | C3 | C4 | C5 | 7.4° | 25.4° |
| O1 | C3 | C4 | C9 | 141.2° | 150.7° |
| O1 | C3 | C2 | H2 | 100.7° | 64.5° |
| O1 | C3 | C2 | H2A | 20.8° | 56.8° |
| O1 | C3 | C4 | H4 | 109.4° | 97.5° |
| C5 | C4 | C9 | H4 | 115.3° | 115.7° |
| C4 | C5 | C6 | C7 | 57.6° | 52.5° |
| C5 | C4 | C9 | C8 | 50.7° | 60.2° |
| C4 | C5 | C14 | H14 | 72.5° | 98.8° |
| C4 | C5 | C15 | H15 | 65.6° | 63.9° |
| C4 | C5 | C15 | H15A | 174.4° | 56.1° |
| C4 | C5 | C15 | H15B | 54.4° | 176.1° |
| C4 | C5 | C6 | H6 | 58.8° | 65.6° |
| C9 | C4 | C5 | C6 | 54.7° | 55.2° |
| C4 | C9 | C8 | C7 | 49.9° | 63.0° |
| C4 | C9 | C10 | H10 | 89.3° | 61.2° |
| C4 | C9 | C1 | H1 | 118.4° | 159.7° |
| C4 | C9 | C1 | H1A | 120.4° | 77.1° |
| C4 | C9 | C8 | H8 | 170.2° | 176.1° |
| C4 | C9 | C8 | H8A | 70.4° | 56.6° |
| C5 | C6 | C7 | H6 | 116.1° | 118.2° |
| C5 | C6 | C7 | C8 | 63.9° | 54.0° |
| C6 | C5 | C14 | H14 | 46.5° | 40.4° |
| C6 | C5 | C15 | H15 | 55.0° | 178.4° |
| C6 | C5 | C15 | H15A | 65.0° | 61.6° |
| C6 | C5 | C15 | H15B | 175.0° | 58.4° |
| C5 | C6 | C16 | H16 | 180.0° | 60.0° |
| C5 | C6 | C16 | H16A | 60.0° | 179.9° |
| C5 | C6 | C16 | H16B | 60.0° | 60.0° |
| C6 | C5 | C4 | H4 | 170.2° | 171.1° |
| C5 | C6 | C7 | H7 | 56.4° | 68.1° |
| C5 | C6 | C7 | H7A | 175.7° | 173.1° |
| C6 | C7 | C8 | H7 | 120.4° | 121.7° |
| C6 | C7 | C8 | H7A | 120.4° | 119.1° |
| C6 | C7 | C8 | C9 | 59.5° | 61.3° |
| C7 | C6 | C16 | H16 | 57.1° | 175.3° |
| C7 | C6 | C16 | H16A | 62.9° | 55.2° |
| C7 | C6 | C16 | H16B | 177.2° | 64.7° |
| C6 | C7 | H7 | H7A | 118.8° | 119.0° |
| C6 | C7 | C8 | H8 | 179.8° | 177.9° |
| C6 | C7 | C8 | H8A | 60.8° | 58.2° |
| C7 | C8 | C9 | H8 | 120.3° | 120.9° |
| C7 | C8 | C9 | H8A | 120.3° | 119.6° |
| C8 | C7 | C6 | H6 | 52.2° | 64.2° |
| C8 | C7 | H7 | H7A | 118.9° | 119.5° |
| C7 | C8 | H8 | H8A | 119.1° | 119.9° |
| C8 | C9 | C10 | H10 | 40.2° | 52.6° |
| C8 | C9 | C1 | H1 | 5.1° | 45.8° |
| C8 | C9 | C1 | H1A | 126.2° | 169.0° |
| C8 | C9 | C4 | H4 | 166.0° | 175.9° |
| C9 | C8 | C7 | H7 | 60.9° | 60.4° |
| C9 | C8 | C7 | H7A | 179.9° | 179.7° |
| C9 | C8 | H8 | H8A | 119.1° | 119.6° |
| H10 | C10 | C11 | H11 | 149.5° | 121.6° |
| H10 | C10 | C17 | H17 | 64.7° | 61.2° |
| H10 | C10 | C17 | H17A | 175.3° | 58.7° |
| H10 | C10 | C17 | H17B | 55.3° | 178.7° |
| H11 | C11 | O2 | HO2 | 66.4° | 55.7° |
| H13 | C13 | C14 | H14 | 112.4° | 91.1° |
| H13A | C13 | C14 | H14 | 128.6° | 152.8° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| H16 | C16 | C6 | H6 | 59.9° | 58.5° |
| H16A | C16 | C6 | H6 | 179.9° | 61.5° |
| H16B | C16 | C6 | H6 | 60.2° | 178.5° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.0° |
| H19 | C19 | C20 | H20A | 180.0° | 180.0° |
| H23 | C23 | C24 | H24 | 161.6° | 180.0° |
| H23 | C23 | C24 | H24A | 43.5° | 60.0° |
| H23 | C23 | C28 | H28 | 156.5° | 180.0° |
| H24 | C24 | C25 | H25 | 58.0° | 60.0° |
| H24 | C24 | C25 | H25A | 180.0° | 180.0° |
| H24A | C24 | C25 | H25 | 60.1° | 60.0° |
| H24A | C24 | C25 | H25A | 61.9° | 60.0° |
| H25 | C25 | C26 | H26 | 68.5° | 60.0° |
| H25A | C25 | C26 | H26 | 169.5° | 180.0° |
| H26 | C26 | C27 | H27 | 71.4° | 60.0° |
| H26 | C26 | C27 | H27A | 169.4° | 180.0° |
| H26 | C26 | N1 | HN1 | 61.2° | 60.0° |
| H26 | C26 | N1 | HN1A | 58.8° | 176.1° |
| H27 | C27 | C28 | H28 | 54.8° | 60.1° |
| H27A | C27 | C28 | H28 | 174.1° | 180.0° |
| H28 | C28 | O5 | HO5 | 61.4° | 60.0° |
| H1 | C1 | C2 | H2 | 144.4° | 98.5° |
| H1 | C1 | C2 | H2A | 22.9° | 23.2° |
| H1A | C1 | C2 | H2 | 23.3° | 24.8° |
| H1A | C1 | C2 | H2A | 98.2° | 146.6° |
| H6 | C6 | C7 | H7 | 172.6° | 173.7° |
| H6 | C6 | C7 | H7A | 68.2° | 54.9° |
| H7 | C7 | C8 | H8 | 59.4° | 60.5° |
| H7 | C7 | C8 | H8A | 178.9° | 179.8° |
| H7A | C7 | C8 | H8 | 59.8° | 58.8° |
| H7A | C7 | C8 | H8A | 59.6° | 60.9° |
